Chem
J-GLOBAL ID：200907011424394744   Nikkaji number：J1.985.286E

Hexanoic acid [(2aR,3Z,5R,6S,7S,7aR,10S,11R,11aR,12S,12aR,13aS)-7,10,12-triacetoxy-6,11-dihydroxy-4,7a,11,13a-tetramethyl-1-oxo-1,2a,5,7,7a,10,11,11a,12,13a-decahydro-6H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan]-5-yl ester

(1R,2S,3R,4R,5S,8R,9S,10S,11R,12Z,14R,17S)-2,5,9-トリス(アセチルオキシ)-4,10-ジヒドロキシ-4,8,12,17-テトラメチル-16-オキソ-15,18-ジオキサテトラシクロ[12.4.0.01,17.03,8]オクタデカ-6,12-ジエン-11-イル ヘキサノアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H44O13
Molecular formula furigana： C32-H44-O13
Molecular weight： 636.691
InChI： InChI=1S/C32H44O13/c1-9-10-11-12-22(36)44-24-16(2)15-21-32(31(8,45-32)28(38)43-21)27(42-19(5)35)25-29(6,26(23(24)37)41-18(4)34)14-13-20(30(25,7)39)40-17(3)33/h13-15,20-21,23-27,37,39H,9-12H2,1-8H3/b16-15-/t20-,21+,23-,24?,25-,26+,27?,29+,30-,31+,32+/m0/s1
InChI key： SRFQLYARLWUPDM-SCUVTPHUSA-N
SMILES： CCCCCC(=O)OC1[C@H](O)[C@@H](OC(=O)C)[C@]2(C)C=C[C@H](OC(=O)C)[C@](C)(O)[C@H]2C(OC(=O)C)[C@@]23O[C@]2(C)C(=O)O[C@@H]3/C=C\1/C
Systematic name  (3)：
  • ヘキサン酸[(2aR,3Z,5R,6S,7S,7aR,10S,11R,11aR,12S,12aR,13aS)-7,10,12-トリアセトキシ-6,11-ジヒドロキシ-4,7a,11,13a-テトラメチル-1-オキソ-1,2a,5,7,7a,10,11,11a,12,13a-デカヒドロ-6H-ベンゾ[4,5]シクロデカ[1,2-b]オキシレノ[c]フラン]-5-イル
  • (1R,2S,3R,4R,5S,8R,9S,10S,11R,12Z,14R,17S)-2,5,9-トリス(アセチルオキシ)-4,10-ジヒドロキシ-4,8,12,17-テトラメチル-16-オキソ-15,18-ジオキサテトラシクロ[12.4.0.01,17.03,8]オクタデカ-6,12-ジエン-11-イル ヘキサノアート
  • (1R,2S,3R,4R,5S,8R,9S,10S,11R,12Z,14R,17S)-2,5,9-tris(acetyloxy)-4,10-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-11-yl hexanoate
Other name (1)：
  • Hexanoic acid [(2aR,3Z,5R,6S,7S,7aR,10S,11R,11aR,12S,12aR,13aS)-7,10,12-triacetoxy-6,11-dihydroxy-4,7a,11,13a-tetramethyl-1-oxo-1,2a,5,7,7a,10,11,11a,12,13a-decahydro-6H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan]-5-yl ester
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